1 citations · 1 across the 6 of their papers we have counts for
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Impact of electron-phonon interaction on the electronic structure of interfaces between organic molecules and a MoS monolayer
Ignacio Gonzalez Oliva, Sebastian Tillack, Fabio Caruso +2
By means of first-principles calculations, we investigate the role of electron-phonon interaction in the electronic structure of hybrid interfaces, formed by MoS and monolayers…
Automatic Generation of Maximally Localized Wannier Functions via Optimized Projection Functions and Self-projections
Sebastian Tillack, Claudia Draxl
We present an automatized approach towards maximally localized Wannier functions (MLWFs) applicable to both occupied and unoccupied states. We overcome limitations of the standard…
Training speedups via batching for geometric learning: an analysis of static and dynamic algorithms
Daniel T. Speckhard, Tim Bechtel, Sebastian Kehl +2
Graph neural networks (GNN) have shown promising results for several domains such as materials science, chemistry, and the social sciences. GNN models often contain millions of par…